Reference/HMDB HMDB0030180
type: UnificationXref
id: HMDB0030180
db: HMDB

1.1.3.16
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104668/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001065/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001783/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104664/Stoichiometry/1.0
right: 3-Dehydroecdysone
right: Hydrogen peroxide
spontaneous: false
EC number: 1.1.3.16
left: Oxygen
left: Ecdysone
name: Ecdysone + Oxygen → 3-Dehydroecdysone + Hydrogen peroxide
conversion direction: LEFT_TO_RIGHT

Reference/CAS 7722-84-1
type: UnificationXref
id: 7722-84-1
db: CAS

Reference/ChemSpider 17215925
type: UnificationXref
id: 17215925
db: ChemSpider

Reference/KEGG Compound C16494
type: UnificationXref
id: C16494
db: KEGG Compound

1.14.99.22
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001065 Mitochondrion/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104664 Mitochondrion/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000143 Mitochondrion/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420 Mitochondrion/Stoichiometry/1.0
participant stoichiometry: Compound/PW C011394 Mitochondrion/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000146 Mitochondrion/Stoichiometry/1.0
right: Water
right: Crustecdysone
right: NADP
spontaneous: false
EC number: 1.14.99.22
left: Ecdysone
left: NADPH
left: Oxygen
name: Ecdysone + NADPH + Oxygen → Crustecdysone + NADP + Water
conversion direction: LEFT_TO_RIGHT

Reference/ChemSpider 937
type: UnificationXref
id: 937
db: ChemSpider

Compound/PW C011394 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Crustecdysone
stoichiometric coefficient: 1.0

1.14.99.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104667 Mitochondrial membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104668 Mitochondrial membrane/Stoichiometry/1.0
right: 3-Dehydroecdysone
spontaneous: false
EC number: 1.14.99.-
left: 3-Dehydro-2-deoxyecdysone
name: 3-Dehydro-2-deoxyecdysone → 3-Dehydroecdysone
conversion direction: LEFT_TO_RIGHT

1.14.99.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104666 Mitochondrial membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104667 Mitochondrial membrane/Stoichiometry/1.0
right: 3-Dehydro-2-deoxyecdysone
spontaneous: false
EC number: 1.14.99.-
left: 2,22-Dideoxy-3-dehydroecdysone
name: 2,22-Dideoxy-3-dehydroecdysone → 3-Dehydro-2-deoxyecdysone
conversion direction: LEFT_TO_RIGHT

Reaction179342
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104660 Endoplasmic Reticulum/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104666 Endoplasmic Reticulum/Stoichiometry/1.0
right: 2,22-Dideoxy-3-dehydroecdysone
spontaneous: false
left: Diketol
name: Diketol ? 2,22-Dideoxy-3-dehydroecdysone

1.14.-.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C011394 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104665 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: 20,26-Dihydroxyecdysone
spontaneous: false
EC number: 1.14.-.-
left: Crustecdysone
name: Crustecdysone → 20,26-Dihydroxyecdysone
conversion direction: LEFT_TO_RIGHT

NADH
type: SmallMolecule
entity reference: NADH

Reference/BioCyc CHOLESTEROL
type: UnificationXref
id: CHOLESTEROL
db: BioCyc

Reference/HMDB HMDB0003125
type: UnificationXref
id: HMDB0003125
db: HMDB

Compound/PW C001065/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxygen
stoichiometric coefficient: 1.0

Reference/UniProt Q9VY01
type: UnificationXref
id: Q9VY01
db: UniProt

Reference/PubChem-compound 439153
type: UnificationXref
id: 439153
db: PubChem-compound

ChemicalStructure/PW C104661
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C001420
type: ChemicalStructure
structure format: SMILES
structure data: O

ChemicalStructure/PW C104660
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C001783
type: ChemicalStructure
structure format: SMILES
structure data: OO

ChemicalStructure/PW C104663
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C104662
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C104665
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C104664
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C104667
type: ChemicalStructure
structure format: SMILES

ChemicalStructure/PW C104666
type: ChemicalStructure
structure format: SMILES

Compound/PW C040034/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen Ion
stoichiometric coefficient: 1.0

ChemicalStructure/PW C104668
type: ChemicalStructure
structure format: SMILES

1.14.99.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104663 Mitochondrial membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104662 Mitochondrial membrane/Stoichiometry/1.0
right: 2-Deoxyecdysone
spontaneous: false
EC number: 1.14.99.-
left: 3β,5β-Ketotriol
name: 3β,5β-Ketotriol → 2-Deoxyecdysone
conversion direction: LEFT_TO_RIGHT

1.14.-.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104661 Endoplasmic Reticulum/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104662 Endoplasmic Reticulum/Stoichiometry/1.0
right: 3β,5β-Ketotriol
spontaneous: false
EC number: 1.14.-.-
left: 3β,5β-Ketodiol
name: 3β,5β-Ketodiol → 3β,5β-Ketotriol
conversion direction: LEFT_TO_RIGHT

Reference/KEGG Compound C00448
type: UnificationXref
id: C00448
db: KEGG Compound

Reaction179335
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104661/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104660/Stoichiometry/1.0
right: 3β,5β-Ketodiol
spontaneous: true
left: Diketol
name: Diketol → 3β,5β-Ketodiol
conversion direction: LEFT_TO_RIGHT

Compound/PW C104662 Endoplasmic Reticulum/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3β,5β-Ketotriol
stoichiometric coefficient: 1.0

Reaction179334
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104660 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000022 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
right: Diketol
spontaneous: false
left: 7-Dehydrocholesterol
name: 7-Dehydrocholesterol → Diketol
conversion direction: LEFT_TO_RIGHT

1.14.99.-
type: BiochemicalReaction
participant stoichiometry: Compound/PW C104663 Mitochondrial membrane/Stoichiometry/1.0
participant stoichiometry: Compound/PW C104664 Mitochondrial membrane/Stoichiometry/1.0
right: Ecdysone
spontaneous: false
EC number: 1.14.99.-
left: 2-Deoxyecdysone
name: 2-Deoxyecdysone → Ecdysone
conversion direction: LEFT_TO_RIGHT

Reference/UniProt Q1JUZ1
type: UnificationXref
id: Q1JUZ1
db: UniProt

NAD
type: SmallMolecule
entity reference: NAD

Cholesterol
type: SmallMolecule
entity reference: Cholesterol
name: SubPathwayOutput

Reaction179332
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000022/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001420/Stoichiometry/2.0
participant stoichiometry: Compound/PW C001065/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000721/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000047/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001144/Stoichiometry/1.0
participant stoichiometry: Compound/PW C040034/Stoichiometry/1.0
right: Water
right: 7-Dehydrocholesterol
right: NAD
spontaneous: false
left: NADH
left: Hydrogen Ion
left: Oxygen
left: Cholesterol
name: Cholesterol + Hydrogen Ion + NADH + Oxygen → 7-Dehydrocholesterol + NAD + 2 Water
conversion direction: LEFT_TO_RIGHT

Compound/PW C104664 Mitochondrial membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ecdysone
stoichiometric coefficient: 1.0

Reference/SMPDB SMP0121061
type: UnificationXref
id: SMP0121061
db: SMPDB

Reference/KEGG Compound C16493
type: UnificationXref
id: C16493
db: KEGG Compound

2-Deoxyecdysone
type: SmallMolecule
cellular location: Mitochondrial membrane
entity reference: 2-Deoxyecdysone

Reference/ChemSpider 393270
type: UnificationXref
id: 393270
db: ChemSpider

Cholesterol
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000067
xref: Reference/ChEBI CHEBI 16113
xref: Reference/BioCyc CHOLESTEROL
xref: Reference/KEGG Compound C00187
xref: Reference/ChemSpider 5775
xref: Reference/PubChem-compound 5997
xref: Reference/CAS 57-88-5
chemical formula: C27H46O
molecular weight: 386.35486
structure: ChemicalStructure/PW C000047

Reference/ChEBI CHEBI 15846
type: UnificationXref
id: CHEBI:15846
db: ChEBI

Reference/BioCyc 7-DEHYDRO-CHOLESTEROL
type: UnificationXref
id: 7-DEHYDRO-CHOLESTEROL
db: BioCyc

Reference/CAS 5289-74-7
type: UnificationXref
id: 5289-74-7
db: CAS

Reference/ChEBI CHEBI 16113
type: UnificationXref
id: CHEBI:16113
db: ChEBI

Compound/PW C104660/Stoichiometry/1.0
type: Stoichiometry
physical entity: Diketol
stoichiometric coefficient: 1.0

Reference/CAS 53-59-8
type: UnificationXref
id: 53-59-8
db: CAS

Reference/CAS 39219-57-3
type: UnificationXref
id: 39219-57-3
db: CAS

3β,5β-Ketodiol
type: SmallMolecule
cellular location: Endoplasmic Reticulum
entity reference: 3β,5β-Ketodiol

Reference/UniProt Q9VUF8
type: UnificationXref
id: Q9VUF8
db: UniProt

Reference/KEGG Compound C02633
type: UnificationXref
id: C02633
db: KEGG Compound

Reference/PubChem-compound 5997
type: UnificationXref
id: 5997
db: PubChem-compound

Reference/PubChem-compound 1038
type: UnificationXref
id: 1038
db: PubChem-compound

Reference/KEGG Compound C02513
type: UnificationXref
id: C02513
db: KEGG Compound

Reference/ChEBI CHEBI 16474
type: UnificationXref
id: CHEBI:16474
db: ChEBI

Reference/ChemSpider 952
type: UnificationXref
id: 952
db: ChemSpider

Cytochrome P450 315a1, mitochondrial
type: Protein
cellular location: Mitochondrial membrane
entity reference: Cytochrome P450 315a1, mitochondrial

Compound/PW C104665 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 20,26-Dihydroxyecdysone
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 16908
type: UnificationXref
id: CHEBI:16908
db: ChEBI

Reference/KEGG Compound C16495
type: UnificationXref
id: C16495
db: KEGG Compound

Reference/KEGG Compound C16497
type: UnificationXref
id: C16497
db: KEGG Compound

Compound/PW C000143 Mitochondrion/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADP
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 16240
type: UnificationXref
id: CHEBI:16240
db: ChEBI

Crustecdysone
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0030180
xref: Reference/CAS 5289-74-7
xref: Reference/ChEBI CHEBI 16587
xref: Reference/ChemSpider 4573597
xref: Reference/KEGG Compound C02633
xref: Reference/PubChem-compound 5459840
chemical formula: C27H44O7
molecular weight: 480.30872
structure: ChemicalStructure/PW C011394

Reference/PubChem-compound 445713
type: UnificationXref
id: 445713
db: PubChem-compound

Reference/ChemSpider 1010
type: UnificationXref
id: 1010
db: ChemSpider

7-Dehydrocholesterol
type: SmallMolecule
entity reference: 7-Dehydrocholesterol

NADPH
type: SmallMoleculeReference
xref: Reference/CAS 53-57-6
xref: Reference/HMDB HMDB0000221
xref: Reference/PubChem-compound 22833512
xref: Reference/BioCyc NADPH
xref: Reference/ChemSpider 17215925
xref: Reference/KEGG Compound C00005
xref: Reference/ChEBI CHEBI 16474
chemical formula: C21H30N7O17P3
molecular weight: 745.0911
structure: ChemicalStructure/PW C000146

Drosophila melanogaster
type: BioSource
xref: Reference/TAXONOMY 7227

7-Dehydrocholesterol
type: SmallMoleculeReference
xref: Reference/ChemSpider 388534
xref: Reference/PubChem-compound 439423
xref: Reference/ChEBI CHEBI 17759
xref: Reference/CAS 434-16-2
xref: Reference/KEGG Compound C01164
xref: Reference/BioCyc 7-DEHYDRO-CHOLESTEROL
xref: Reference/HMDB HMDB0000032
chemical formula: C27H44O
molecular weight: 384.3392
structure: ChemicalStructure/PW C000022

Mitochondrion
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005739

NADP
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00006
xref: Reference/CAS 53-59-8
xref: Reference/BioCyc NAD(P)
xref: Reference/HMDB HMDB0000217
xref: Reference/ChEBI CHEBI 18009
xref: Reference/PubChem-compound 5886
xref: Reference/ChemSpider 5675
chemical formula: C21H28N7O17P3
molecular weight: 743.07544
structure: ChemicalStructure/PW C000143

Mitochondrial membrane
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0031966

Reference/BioCyc NADPH
type: UnificationXref
id: NADPH
db: BioCyc

Hydrogen Ion
type: SmallMolecule
entity reference: Hydrogen Ion

ReactionCatalysis169249
type: Catalysis
controller: Ecdysone oxidase
controlled: 1.1.3.16
control type: ACTIVATION

ReactionCatalysis169248
type: Catalysis
controller: Cytochrome P450 315a1, mitochondrial
controlled: 1.14.99.-
control type: ACTIVATION

ReactionCatalysis169247
type: Catalysis
controller: Cytochrome P450 302a1, mitochondrial
controlled: 1.14.99.-
control type: ACTIVATION

ReactionCatalysis169246
type: Catalysis
controller: Cytochrome P450 306a1
controlled: Reaction179342
control type: ACTIVATION

Diketol
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Diketol

Reference/BioCyc CPD-6641
type: UnificationXref
id: CPD-6641
db: BioCyc

ReactionCatalysis169245
type: Catalysis
controller: Cytochrome P450 18a1
controlled: 1.14.-.-
control type: ACTIVATION

Reference/ChEBI CHEBI 19566
type: UnificationXref
id: CHEBI:19566
db: ChEBI

ReactionCatalysis169244
type: Catalysis
controller: Ecdysone 20-monooxygenase
controlled: 1.14.99.22
control type: ACTIVATION

Reference/KEGG Compound C00477
type: UnificationXref
id: C00477
db: KEGG Compound

ReactionCatalysis169242
type: Catalysis
controller: Cytochrome P450 315a1, mitochondrial
controlled: 1.14.99.-
control type: ACTIVATION

ReactionCatalysis169241
type: Catalysis
controller: Cytochrome P450 302a1, mitochondrial
controlled: 1.14.99.-
control type: ACTIVATION

Reference/CAS 58-68-4
type: UnificationXref
id: 58-68-4
db: CAS

ReactionCatalysis169240
type: Catalysis
controller: Cytochrome P450 306a1
controlled: 1.14.-.-
control type: ACTIVATION

Compound/PW C104663 Mitochondrial membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2-Deoxyecdysone
stoichiometric coefficient: 1.0

Water
type: SmallMolecule
cellular location: Mitochondrion
entity reference: Water

Reference/HMDB HMDB0000217
type: UnificationXref
id: HMDB0000217
db: HMDB

Oxygen
type: SmallMolecule
entity reference: Oxygen

Rieske-domain protein Neverland
type: Protein
entity reference: Rieske-domain protein Neverland

Reference/KEGG Compound C16498
type: UnificationXref
id: C16498
db: KEGG Compound

3-Dehydro-2-deoxyecdysone
type: SmallMoleculeReference
xref: Reference/KEGG Compound C16497
xref: Reference/PubChem-compound 47205793
xref: Reference/ChEBI CHEBI 80532
chemical formula: C27H42O5
molecular weight: 446.30322
structure: ChemicalStructure/PW C104667

ChemicalStructure/PW C011394
type: ChemicalStructure
structure format: SMILES

3-Dehydroecdysone
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5523
xref: Reference/KEGG Compound C02513
xref: Reference/ChEBI CHEBI 17058
chemical formula: C27H42O6
molecular weight: 462.29813
structure: ChemicalStructure/PW C104668

Reference/KEGG Compound C00007
type: UnificationXref
id: C00007
db: KEGG Compound

20,26-Dihydroxyecdysone
type: SmallMoleculeReference
xref: Reference/CAS 19458-46-9
xref: Reference/PubChem-compound 47205796
xref: Reference/ChEBI CHEBI 19793
xref: Reference/KEGG Compound C16500
chemical formula: C27H44O8
molecular weight: 496.30362
structure: ChemicalStructure/PW C104665

2,22-Dideoxy-3-dehydroecdysone
type: SmallMoleculeReference
xref: Reference/PubChem-compound 47205794
xref: Reference/KEGG Compound C16498
xref: Reference/ChEBI CHEBI 80533
chemical formula: C27H42O4
molecular weight: 430.30832
structure: ChemicalStructure/PW C104666

Reference/KEGG Compound C00006
type: UnificationXref
id: C00006
db: KEGG Compound

2-Deoxyecdysone
type: SmallMoleculeReference
xref: Reference/KEGG Compound C16495
xref: Reference/PubChem-compound 47205791
xref: Reference/ChEBI CHEBI 19566
xref: Reference/CAS 31575-91-4
chemical formula: C27H44O5
molecular weight: 448.31888
structure: ChemicalStructure/PW C104663

Ecdysone
type: SmallMoleculeReference
xref: Reference/CAS 3604-87-3
xref: Reference/ChEBI CHEBI 16688
xref: Reference/PubChem-compound 3760
xref: Reference/KEGG Compound C00477
chemical formula: C27H44O6
molecular weight: 464.31378
structure: ChemicalStructure/PW C104664

3β,5β-Ketodiol
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 19290
xref: Reference/CAS 39219-57-3
xref: Reference/PubChem-compound 47205789
xref: Reference/KEGG Compound C16493
chemical formula: C27H44O3
molecular weight: 416.32904
structure: ChemicalStructure/PW C104661

Reference/ChEBI CHEBI 18009
type: UnificationXref
id: CHEBI:18009
db: ChEBI

ReactionCatalysis169239
type: Catalysis
controller: Cytochrome P450 307a1
controlled: Reaction179334
control type: ACTIVATION

Compound/PW C104660 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: Diketol
stoichiometric coefficient: 1.0

3β,5β-Ketotriol
type: SmallMoleculeReference
xref: Reference/PubChem-compound 47205790
xref: Reference/KEGG Compound C16494
xref: Reference/ChEBI CHEBI 80530
chemical formula: C27H44O4
molecular weight: 432.32397
structure: ChemicalStructure/PW C104662

ReactionCatalysis169237
type: Catalysis
controller: Rieske-domain protein Neverland
controlled: Reaction179332
control type: ACTIVATION

Reference/KEGG Compound C00001
type: UnificationXref
id: C00001
db: KEGG Compound

Molting Hormone Biosynthesis
type: Pathway
pathway order: PathwaySubPathway/109704
pathway order: PathwayEnzymeReaction/2122550
pathway order: PathwayEnzymeReaction/2122562
pathway order: PathwayEnzymeReaction/2122650
pathway order: PathwayEnzymeReaction/2122563
pathway order: PathwayEnzymeReaction/2122542
pathway order: PathwayEnzymeReaction/2122564
pathway order: PathwayEnzymeReaction/2122565
pathway order: PathwayEnzymeReaction/2122645
pathway order: PathwayEnzymeReaction/2122646
pathway order: PathwayEnzymeReaction/2122647
pathway order: PathwayEnzymeReaction/2122648
pathway order: PathwayEnzymeReaction/2122649
pathway component: 1.14.99.-
pathway component: 1.14.-.-
pathway component: Reaction179335
pathway component: 1.1.3.16
pathway component: Reaction179334
pathway component: ReactionCatalysis169239
pathway component: ReactionCatalysis169249
pathway component: Terpenoid backboine biosynthesis
pathway component: ReactionCatalysis169237
pathway component: ReactionCatalysis169248
pathway component: 1.14.99.22
pathway component: ReactionCatalysis169247
pathway component: ReactionCatalysis169246
pathway component: ReactionCatalysis169245
pathway component: ReactionCatalysis169244
pathway component: Reaction179332
pathway component: Reaction179342
pathway component: ReactionCatalysis169242
pathway component: ReactionCatalysis169241
pathway component: ReactionCatalysis169240
xref: Reference/SMPDB SMP0121061
xref: Reference/PathWhiz PW122329
organism: Drosophila melanogaster

Diketol
type: SmallMoleculeReference
xref: Reference/KEGG Compound C16509
xref: Reference/PubChem-compound 47205805
xref: Reference/ChEBI CHEBI 80541
chemical formula: C27H42O3
molecular weight: 414.3134
structure: ChemicalStructure/PW C104660

Cytochrome P450 307a1
type: ProteinReference
xref: Reference/UniProt Q9VRM7
organism: Drosophila melanogaster

Cytochrome P450 306a1
type: ProteinReference
xref: Reference/UniProt Q9VWR5
organism: Drosophila melanogaster

Reference/KEGG Compound C00005
type: UnificationXref
id: C00005
db: KEGG Compound

Reference/PubChem-compound 5459840
type: UnificationXref
id: 5459840
db: PubChem-compound

Reference/KEGG Compound C00004
type: UnificationXref
id: C00004
db: KEGG Compound

Cytochrome P450 302a1, mitochondrial
type: Protein
cellular location: Mitochondrial membrane
entity reference: Cytochrome P450 302a1, mitochondrial

Farnesyl pyrophosphate
type: SmallMolecule
entity reference: Farnesyl pyrophosphate
name: SubPathwayOutput

Reference/KEGG Compound C00003
type: UnificationXref
id: C00003
db: KEGG Compound

ChemicalStructure/PW C000022
type: ChemicalStructure
structure format: SMILES

Ecdysone
type: SmallMolecule
cellular location: Mitochondrion
entity reference: Ecdysone

ChemicalStructure/PW C000143
type: ChemicalStructure
structure format: SMILES

Reference/HMDB HMDB0000221
type: UnificationXref
id: HMDB0000221
db: HMDB

Compound/PW C001065 Mitochondrion/Stoichiometry/1.0
type: Stoichiometry
physical entity: Oxygen
stoichiometric coefficient: 1.0

Reference/CAS 3604-87-3
type: UnificationXref
id: 3604-87-3
db: CAS

ChemicalStructure/PW C000146
type: ChemicalStructure
structure format: SMILES

3-Dehydro-2-deoxyecdysone
type: SmallMolecule
cellular location: Mitochondrial membrane
entity reference: 3-Dehydro-2-deoxyecdysone

Compound/PW C104667 Mitochondrial membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Dehydro-2-deoxyecdysone
stoichiometric coefficient: 1.0

Reference/CAS 434-16-2
type: UnificationXref
id: 434-16-2
db: CAS

Reference/CAS 57-88-5
type: UnificationXref
id: 57-88-5
db: CAS

Reference/ChemSpider 388534
type: UnificationXref
id: 388534
db: ChemSpider

Reference/CAS 53-57-6
type: UnificationXref
id: 53-57-6
db: CAS

NAD
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15846
xref: Reference/HMDB HMDB0000902
xref: Reference/CAS 53-84-9
xref: Reference/KEGG Compound C00003
xref: Reference/PubChem-compound 5893
xref: Reference/BioCyc NAD
xref: Reference/ChemSpider 5682
chemical formula: C21H27N7O14P2
molecular weight: 663.10913
structure: ChemicalStructure/PW C000721

SubPathwayInteraction109704
type: Interaction
name: SubPathwayReaction
name: SubPathway109704Reaction
participant: Cholesterol
participant: Farnesyl pyrophosphate

Compound/PW C001783/Stoichiometry/1.0
type: Stoichiometry
physical entity: Hydrogen peroxide
stoichiometric coefficient: 1.0

3β,5β-Ketotriol
type: SmallMolecule
cellular location: Endoplasmic Reticulum
entity reference: 3β,5β-Ketotriol

Ecdysone 20-monooxygenase
type: Protein
cellular location: Mitochondrion
entity reference: Ecdysone 20-monooxygenase

Reference/HMDB HMDB0000902
type: UnificationXref
id: HMDB0000902
db: HMDB

Cytochrome P450 18a1
type: ProteinReference
xref: Reference/UniProt Q95078
organism: Drosophila melanogaster

Ecdysone oxidase
type: ProteinReference
xref: Reference/UniProt Q9VY01
organism: Drosophila melanogaster

Oxygen
type: SmallMolecule
cellular location: Mitochondrion
entity reference: Oxygen

Cytochrome P450 302a1, mitochondrial
type: ProteinReference
xref: Reference/UniProt Q9NGX9
organism: Drosophila melanogaster

Cytochrome P450 315a1, mitochondrial
type: ProteinReference
xref: Reference/UniProt Q9VGH1
organism: Drosophila melanogaster

Reference/UniProt Q9VRM7
type: UnificationXref
id: Q9VRM7
db: UniProt

Ecdysone 20-monooxygenase
type: ProteinReference
xref: Reference/UniProt Q9VUF8
organism: Drosophila melanogaster

NADH
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001487
xref: Reference/CAS 58-68-4
xref: Reference/PubChem-compound 439153
xref: Reference/BioCyc NADH
xref: Reference/ChemSpider 388299
xref: Reference/KEGG Compound C00004
xref: Reference/ChEBI CHEBI 16908
chemical formula: C21H29N7O14P2
molecular weight: 665.12476
structure: ChemicalStructure/PW C001144

Reference/BioCyc NAD(P)
type: UnificationXref
id: NAD(P)
db: BioCyc

3β,5β-Ketotriol
type: SmallMolecule
cellular location: Mitochondrial membrane
entity reference: 3β,5β-Ketotriol

Reference/PubChem-compound 47205789
type: UnificationXref
id: 47205789
db: PubChem-compound

Cytochrome P450 306a1
type: Protein
cellular location: Endoplasmic Reticulum
entity reference: Cytochrome P450 306a1

Crustecdysone
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: Crustecdysone

7-Dehydrocholesterol
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: 7-Dehydrocholesterol

Hydrogen Ion
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00080
xref: Reference/ChEBI CHEBI 15378
xref: Reference/HMDB HMDB0059597
xref: Reference/PubChem-compound 1038
xref: Reference/ChemSpider 1010
chemical formula: H
molecular weight: 1.007825
structure: ChemicalStructure/PW C040034

Reference/ChemSpider 4573597
type: UnificationXref
id: 4573597
db: ChemSpider

Reference/ChEBI CHEBI 19793
type: UnificationXref
id: CHEBI:19793
db: ChEBI

Reference/ChemSpider 5775
type: UnificationXref
id: 5775
db: ChemSpider

Reference/CAS 53-84-9
type: UnificationXref
id: 53-84-9
db: CAS

Reference/PubChem-compound 3760
type: UnificationXref
id: 3760
db: PubChem-compound

Reference/KEGG Compound C00027
type: UnificationXref
id: C00027
db: KEGG Compound

Reference/GENE ONTOLOGY GO 0005739
type: UnificationXref
id: GO:0005739
db: GENE ONTOLOGY

Reference/PubChem-compound 47205791
type: UnificationXref
id: 47205791
db: PubChem-compound

Reference/PubChem-compound 47205790
type: UnificationXref
id: 47205790
db: PubChem-compound

Reference/PubChem-compound 47205796
type: UnificationXref
id: 47205796
db: PubChem-compound

Compound/PW C001420 Mitochondrion/Stoichiometry/1.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 1.0

Reference/PubChem-compound 47205794
type: UnificationXref
id: 47205794
db: PubChem-compound

Reference/PubChem-compound 47205793
type: UnificationXref
id: 47205793
db: PubChem-compound

Reference/UniProt Q9VGH1
type: UnificationXref
id: Q9VGH1
db: UniProt

Reference/TAXONOMY 7227
type: UnificationXref
id: 7227
db: TAXONOMY

3-Dehydroecdysone
type: SmallMolecule
entity reference: 3-Dehydroecdysone

Compound/PW C000721/Stoichiometry/1.0
type: Stoichiometry
physical entity: NAD
stoichiometric coefficient: 1.0

Endoplasmic Reticulum
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005783

2,22-Dideoxy-3-dehydroecdysone
type: SmallMolecule
cellular location: Endoplasmic Reticulum
entity reference: 2,22-Dideoxy-3-dehydroecdysone

Endoplasmic Reticulum Membrane
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005789

Reference/CAS 372-97-4
type: UnificationXref
id: 372-97-4
db: CAS

ChemicalStructure/PW C000721
type: ChemicalStructure
structure format: SMILES

Reference/ChemSpider 5682
type: UnificationXref
id: 5682
db: ChemSpider

ChemicalStructure/PW C001144
type: ChemicalStructure
structure format: SMILES

Ecdysone
type: SmallMolecule
cellular location: Mitochondrial membrane
entity reference: Ecdysone

Water
type: SmallMolecule
entity reference: Water

Hydrogen peroxide
type: SmallMolecule
entity reference: Hydrogen peroxide

Compound/PW C104668/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Dehydroecdysone
stoichiometric coefficient: 1.0

Reference/BioCyc HYDROGEN-PEROXIDE
type: UnificationXref
id: HYDROGEN-PEROXIDE
db: BioCyc

Diketol
type: SmallMolecule
entity reference: Diketol

3β,5β-Ketodiol
type: SmallMolecule
entity reference: 3β,5β-Ketodiol

Reference/ChEBI CHEBI 80530
type: UnificationXref
id: CHEBI:80530
db: ChEBI

Reference/ChEBI CHEBI 80533
type: UnificationXref
id: CHEBI:80533
db: ChEBI

Ecdysone
type: SmallMolecule
entity reference: Ecdysone

Reference/ChEBI CHEBI 80532
type: UnificationXref
id: CHEBI:80532
db: ChEBI

Reference/ChEBI CHEBI 17759
type: UnificationXref
id: CHEBI:17759
db: ChEBI

Reference/ChemSpider 5675
type: UnificationXref
id: 5675
db: ChemSpider

Reference/UniProt Q95078
type: UnificationXref
id: Q95078
db: UniProt

Rieske-domain protein Neverland
type: ProteinReference
xref: Reference/UniProt Q1JUZ1
organism: Drosophila melanogaster

20,26-Dihydroxyecdysone
type: SmallMolecule
cellular location: Endoplasmic Reticulum Membrane
entity reference: 20,26-Dihydroxyecdysone

Reference/ChemSpider 763
type: UnificationXref
id: 763
db: ChemSpider

Reference/PubChem-compound 439423
type: UnificationXref
id: 439423
db: PubChem-compound

Reference/KEGG Compound C16509
type: UnificationXref
id: C16509
db: KEGG Compound

Compound/PW C104668 Mitochondrial membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Dehydroecdysone
stoichiometric coefficient: 1.0

Reference/KEGG Compound C16500
type: UnificationXref
id: C16500
db: KEGG Compound

Compound/PW C000022/Stoichiometry/1.0
type: Stoichiometry
physical entity: 7-Dehydrocholesterol
stoichiometric coefficient: 1.0

Reference/PubChem-compound 784
type: UnificationXref
id: 784
db: PubChem-compound

Farnesyl pyrophosphate
type: SmallMoleculeReference
xref: Reference/KEGG Compound C00448
xref: Reference/HMDB HMDB0000961
xref: Reference/ChemSpider 393270
xref: Reference/ChEBI CHEBI 17407
xref: Reference/CAS 372-97-4
xref: Reference/BioCyc FARNESYL-PP
xref: Reference/PubChem-compound 445713
chemical formula: C15H28O7P2
molecular weight: 382.13104
structure: ChemicalStructure/PW C000768

Compound/PW C000022 Endoplasmic Reticulum Membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 7-Dehydrocholesterol
stoichiometric coefficient: 1.0

Terpenoid backboine biosynthesis
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway109704
pathway component: SubPathwayInteraction109704
name: SubPathway

Reference/ChemSpider 388299
type: UnificationXref
id: 388299
db: ChemSpider

Reference/CAS 7732-18-5
type: UnificationXref
id: 7732-18-5
db: CAS

Reference/CAS 31575-91-4
type: UnificationXref
id: 31575-91-4
db: CAS

Reference/HMDB HMDB0001487
type: UnificationXref
id: HMDB0001487
db: HMDB

Oxygen
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0001377
xref: Reference/ChemSpider 952
xref: Reference/KEGG Compound C00007
xref: Reference/ChEBI CHEBI 15379
xref: Reference/PubChem-compound 977
xref: Reference/BioCyc CPD-6641
xref: Reference/CAS 7782-44-7
chemical formula: O2
molecular weight: 31.98983
structure: ChemicalStructure/PW C001065

2,22-Dideoxy-3-dehydroecdysone
type: SmallMolecule
cellular location: Mitochondrial membrane
entity reference: 2,22-Dideoxy-3-dehydroecdysone

Reference/GENE ONTOLOGY GO 0005789
type: UnificationXref
id: GO:0005789
db: GENE ONTOLOGY

Compound/PW C000047/Stoichiometry/1.0
type: Stoichiometry
physical entity: Cholesterol
stoichiometric coefficient: 1.0

Compound/PW C011394 Mitochondrion/Stoichiometry/1.0
type: Stoichiometry
physical entity: Crustecdysone
stoichiometric coefficient: 1.0

Reference/GENE ONTOLOGY GO 0005783
type: UnificationXref
id: GO:0005783
db: GENE ONTOLOGY

Reference/HMDB HMDB0000032
type: UnificationXref
id: HMDB0000032
db: HMDB

Reference/KEGG Compound C00187
type: UnificationXref
id: C00187
db: KEGG Compound

Compound/PW C001144/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADH
stoichiometric coefficient: 1.0

Crustecdysone
type: SmallMolecule
cellular location: Mitochondrion
entity reference: Crustecdysone

Reference/BioCyc FARNESYL-PP
type: UnificationXref
id: FARNESYL-PP
db: BioCyc

Reference/ChEBI CHEBI 17058
type: UnificationXref
id: CHEBI:17058
db: ChEBI

Reference/CAS 7782-44-7
type: UnificationXref
id: 7782-44-7
db: CAS

Reference/HMDB HMDB0001377
type: UnificationXref
id: HMDB0001377
db: HMDB

Reference/HMDB HMDB0000961
type: UnificationXref
id: HMDB0000961
db: HMDB

Reference/CAS 19458-46-9
type: UnificationXref
id: 19458-46-9
db: CAS

ChemicalStructure/PW C000047
type: ChemicalStructure
structure format: SMILES

Reference/ChEBI CHEBI 80541
type: UnificationXref
id: CHEBI:80541
db: ChEBI

Cytochrome P450 307a1
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 307a1

Reference/PubChem-compound 962
type: UnificationXref
id: 962
db: PubChem-compound

Compound/PW C104661 Endoplasmic Reticulum/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3β,5β-Ketodiol
stoichiometric coefficient: 1.0

3-Dehydroecdysone
type: SmallMolecule
cellular location: Mitochondrial membrane
entity reference: 3-Dehydroecdysone

Reference/PubChem-compound 47205805
type: UnificationXref
id: 47205805
db: PubChem-compound

Reference/KEGG Compound C01164
type: UnificationXref
id: C01164
db: KEGG Compound

Reference/PubChem-compound 5893
type: UnificationXref
id: 5893
db: PubChem-compound

ChemicalStructure/PW C000768
type: ChemicalStructure
structure format: SMILES

Reference/KEGG Compound C00080
type: UnificationXref
id: C00080
db: KEGG Compound

ChemicalStructure/PW C001065
type: ChemicalStructure
structure format: SMILES
structure data: O=O

Compound/PW C104664/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ecdysone
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0002111
type: UnificationXref
id: HMDB0002111
db: HMDB

Compound/PW C000146 Mitochondrion/Stoichiometry/1.0
type: Stoichiometry
physical entity: NADPH
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 15377
type: UnificationXref
id: CHEBI:15377
db: ChEBI

Reference/ChEBI CHEBI 16587
type: UnificationXref
id: CHEBI:16587
db: ChEBI

Reference/ChEBI CHEBI 15379
type: UnificationXref
id: CHEBI:15379
db: ChEBI

Reference/ChEBI CHEBI 15378
type: UnificationXref
id: CHEBI:15378
db: ChEBI

ChemicalStructure/PW C040034
type: ChemicalStructure
structure format: SMILES
structure data: [H+]

Compound/PW C104666 Mitochondrial membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2,22-Dideoxy-3-dehydroecdysone
stoichiometric coefficient: 1.0

Compound/PW C104664 Mitochondrion/Stoichiometry/1.0
type: Stoichiometry
physical entity: Ecdysone
stoichiometric coefficient: 1.0

Reference/PubChem-compound 5523
type: UnificationXref
id: 5523
db: PubChem-compound

Reference/PubChem-compound 5886
type: UnificationXref
id: 5886
db: PubChem-compound

NADP
type: SmallMolecule
cellular location: Mitochondrion
entity reference: NADP

Reference/ChEBI CHEBI 19290
type: UnificationXref
id: CHEBI:19290
db: ChEBI

Reference/HMDB HMDB0000067
type: UnificationXref
id: HMDB0000067
db: HMDB

Reference/UniProt Q9VWR5
type: UnificationXref
id: Q9VWR5
db: UniProt

Diketol
type: SmallMolecule
cellular location: Endoplasmic Reticulum
entity reference: Diketol

Compound/PW C104666 Endoplasmic Reticulum/Stoichiometry/1.0
type: Stoichiometry
physical entity: 2,22-Dideoxy-3-dehydroecdysone
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 17407
type: UnificationXref
id: CHEBI:17407
db: ChEBI

Reference/PubChem-compound 22833512
type: UnificationXref
id: 22833512
db: PubChem-compound

Compound/PW C104661/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3β,5β-Ketodiol
stoichiometric coefficient: 1.0

Water
type: SmallMoleculeReference
xref: Reference/PubChem-compound 962
xref: Reference/ChEBI CHEBI 15377
xref: Reference/KEGG Compound C00001
xref: Reference/ChemSpider 937
xref: Reference/HMDB HMDB0002111
xref: Reference/CAS 7732-18-5
chemical formula: H2O
molecular weight: 18.010565
structure: ChemicalStructure/PW C001420

Hydrogen peroxide
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0003125
xref: Reference/PubChem-compound 784
xref: Reference/ChemSpider 763
xref: Reference/CAS 7722-84-1
xref: Reference/BioCyc HYDROGEN-PEROXIDE
xref: Reference/ChEBI CHEBI 16240
xref: Reference/KEGG Compound C00027
chemical formula: H2O2
molecular weight: 34.005478
structure: ChemicalStructure/PW C001783

Reference/GENE ONTOLOGY GO 0031966
type: UnificationXref
id: GO:0031966
db: GENE ONTOLOGY

Compound/PW C104662 Mitochondrial membrane/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3β,5β-Ketotriol
stoichiometric coefficient: 1.0

Reference/BioCyc NADH
type: UnificationXref
id: NADH
db: BioCyc

Reference/BioCyc NAD
type: UnificationXref
id: NAD
db: BioCyc

Reference/ChEBI CHEBI 16688
type: UnificationXref
id: CHEBI:16688
db: ChEBI

Reference/PubChem-compound 977
type: UnificationXref
id: 977
db: PubChem-compound

NADPH
type: SmallMolecule
cellular location: Mitochondrion
entity reference: NADPH

Reference/HMDB HMDB0059597
type: UnificationXref
id: HMDB0059597
db: HMDB

Compound/PW C104660 Endoplasmic Reticulum/Stoichiometry/1.0
type: Stoichiometry
physical entity: Diketol
stoichiometric coefficient: 1.0

Cytochrome P450 18a1
type: Protein
cellular location: Endoplasmic Reticulum Membrane
entity reference: Cytochrome P450 18a1

Reference/PathWhiz PW122329
type: UnificationXref
id: PW122329
db: PathWhiz

Compound/PW C001420/Stoichiometry/2.0
type: Stoichiometry
physical entity: Water
stoichiometric coefficient: 2.0

Ecdysone oxidase
type: Protein
entity reference: Ecdysone oxidase

Reference/UniProt Q9NGX9
type: UnificationXref
id: Q9NGX9
db: UniProt